2-[1,5-bis(oxidanyl)-1-oxidanylidene-icos-7-yn-6-yl]sulfanyl-3,5-dimethyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[1,5-bis(oxidanyl)-1-oxidanylidene-icos-7-yn-6-yl]sulfanyl-3,5-dimethyl-imidazole-4-carboxylic acid Openeye Name: 2-[1-(1,5-dihydroxy-5-oxo-pentyl)pentadec-2-ynylsulfanyl]-3,5-dimethyl-imidazole-4-carboxylic acid CAS Name: 2-[(1,5-dihydroxy-1-oxoeicos-7-yn-6-yl)thio]-3,5-dimethyl-4-imidazolecarboxylic acid IUPAC Name: 2-(1,5-dihydroxy-1-oxoicos-7-yn-6-yl)sulfanyl-3,5-dimethylimidazole-4-carboxylic acid Traditional Name: 2-[1-(1,5-dihydroxy-5-keto-pentyl)pentadec-2-ynylthio]-3,5-dimethyl-imidazole-4-carboxylic acid Formula: C26H42N2O5S MolecularWeight: 494.68708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC(C(CCCC(=O)O)O)SC1=NC(=C(N1C)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCC#CC(C(CCCC(=O)O)O)SC1=NC(=C(N1C)C(=O)O)C

InChI

InChI=1S/C26H42N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22(21(29)17-16-19-23(30)31)34-26-27-20(2)24(25(32)33)28(26)3/h21-22,29H,4-14,16-17,19H2,1-3H3,(H,30,31)(H,32,33)